AB74925
59576-30-6 | Isopropyl 2-pyridyl ketone
Manufacturer: A2B Chem
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CatalogNumber
AB74925
ChemicalName
Isopropyl 2-pyridyl ketone
CasNumber
59576-30-6
MolecularFormula
C9H11NO
MolecularWeight
149.1897
MdlNumber
MFCD00778577
Smiles
CC(C(=O)c1ccccn1)C
Complexity
143
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
1.9
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CatalogNumber: AB74925
ChemicalName: Isopropyl 2-pyridyl ketone
CasNumber: 59576-30-6
MolecularFormula: C9H11NO
MolecularWeight: 149.1897
MdlNumber: MFCD00778577
Smiles: CC(C(=O)c1ccccn1)C
Complexity: 143
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AB74925
ChemicalName:
Isopropyl 2-pyridyl ketone
CasNumber:
59576-30-6
MolecularFormula:
C9H11NO
MolecularWeight:
149.1897
MdlNumber:
MFCD00778577
Smiles:
CC(C(=O)c1ccccn1)C
Complexity:
143
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
1.9
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Smiles: CC(OC(=O)c1ncccc1C(=O)C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CC(OC(=O)c1ncccc1C(=O)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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Smiles: SCCC(=O)OC(C)C
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Smiles:
SCCC(=O)OC(C)C
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: COc1cc(cc(c1O)OC)C(=O)OC(C)C
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COc1cc(cc(c1O)OC)C(=O)OC(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__